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Target
Carbonic anhydrase 2/3/4/6
Ligand
BDBM50070606
Substrate
n/a
Meas. Tech.
ChEMBL_1468134 (CHEMBL3414020)
Ki
2.0±n/a nM
Citation
 Haider, S; Alam, MS; Hamid, H 1,3,4-Thiadiazoles: a potent multi targeted pharmacological scaffold. Eur J Med Chem 92:156-77 (2015) [PubMed]  Article 
Target
Name:
Carbonic anhydrase 2/3/4/6
Synonyms:
Carbonic anhydrase
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of ChEMBL is 1468134
Components:
This complex has 4 components.
Component 1
Name:
Carbonic anhydrase 6
Synonyms:
CA-VI | CA6 | CAH6_BOVIN | Carbonate dehydratase VI | Carbonic anhydrase 6 | Carbonic anhydrase VI | Salivary carbonic anhydrase | Secreted carbonic anhydrase
Type:
PROTEIN
Mol. Mass.:
37008.14
Organism:
Bos taurus
Description:
ChEMBL_104851
Residue:
319
Sequence:
MITLLFLLVVGAQAQHEWTYSEGVLDEKHWRLQYPDCGGTRQSPIDLKMKKVRYNPSLRALNLTGYGLRQGEFPMTNNGHTVQISLPSSMRMTTSDGSQYLAKQMHFHWGGDSSEISGSEHTVDGMRYIIEIHVVHYHSKYGSYEEAQNEPDGLAVLAALVEVKDYAENTYYSNFISHLEDIRYAGQSTVLRDLDIQDMLPGDLRYYYSYLGSLTTPSCTENVHWFVVADTVKLSKTQIEKLENSLLNHQNETIQNNYRSTQPLNHRVVEANFVSHPHQEYTLGSKLHFYLNNIDQNLEYLRRFIEQKITKRKKEKYWP
  
Component 2
Name:
Carbonic anhydrase 2
Synonyms:
CA2 | CAH2_BOVIN | Carbonic anhydrase | Carbonic anhydrase 2 | Carbonic anhydrase II | Carbonic anhydrase II (CA II) | Carbonic anhydrase II (CA-II)
Type:
Enzyme Catalytic Domain
Mol. Mass.:
29115.93
Organism:
Bos taurus
Description:
n/a
Residue:
260
Sequence:
MSHHWGYGKHNGPEHWHKDFPIANGERQSPVDIDTKAVVQDPALKPLALVYGEATSRRMVNNGHSFNVEYDDSQDKAVLKDGPLTGTYRLVQFHFHWGSSDDQGSEHTVDRKKYAAELHLVHWNTKYGDFGTAAQQPDGLAVVGVFLKVGDANPALQKVLDALDSIKTKGKSTDFPNFDPGSLLPNVLDYWTYPGSLTTPPLLESVTWIVLKEPISVSSQQMLKFRTLNFNAEGEPELLMLANWRPAQPLKNRQVRGFPK
  
Component 3
Name:
Carbonic anhydrase 3
Synonyms:
CA-III | CA3 | CAH3_BOVIN | Carbonate dehydratase III | Carbonic anhydrase 3 | Carbonic anhydrase 3 (CA III) | Carbonic anhydrase III
Type:
Enzyme
Mol. Mass.:
29376.92
Organism:
Bos taurus (Cattle)
Description:
Q3SZX4
Residue:
260
Sequence:
MAKEWGYADHNGPDHWHELFPNAKGENQSPIELNTKEISHDPSLKPWTASYDPGSAKTILNNGKTCRVVFDDTYDRSMLRGGPLAAPYRLRQFHLHWGSSDDHGSEHSVDGVKYAAELHLVHWNSKYNSYATALKHADGIAVVGVFLKIGREKGEFQLLLDALDKIKTKGKEAPFNNFNPSCLFPACRDYWTYHGSFTTPPCEECIVWLLLKEPITVSSDQIAKLRTLYSSAENEPPVPLVRNWRPPQPIKGRIVKASFK
  
Component 4
Name:
Carbonic anhydrase 4
Synonyms:
CA-IV | CA4 | CAH4_BOVIN | Carbonate dehydratase IV | Carbonic Anhydrase IV | Carbonic anhydrase | Carbonic anhydrase 4
Type:
Enzyme
Mol. Mass.:
35152.74
Organism:
Bos taurus (bovine)
Description:
Bovine isozyme, isolated from lung microsomes
Residue:
312
Sequence:
MRLLLALLVLAAAPPQARAASHWCYQIQVKPSNYTCLEPDEWEGSCQNNRQSPVNIVTAKTQLDPNLGRFSFSGYNMKHQWVVQNNGHTVMVLLENKPSIAGGGLSTRYQATQLHLHWSRAMDRGSEHSFDGERFAMEMHIVHEKEKGLSGNASQNQFAEDEIAVLAFMVEDGSKNVNFQPLVEALSDIPRPNMNTTMKEGVSLFDLLPEEESLRHYFRYLGSLTTPTCDEKVVWTVFQKPIQLHRDQILAFSQKLFYDDQQKVNMTDNVRPVQSLGQRQVFRSGAPGLLLAQPLPTLLAPVLACLTVGFLR
  
Inhibitor
Name:
BDBM50070606
Synonyms:
CHEMBL3408993
Type:
Small organic molecule
Emp. Form.:
C13H12ClN5O8S3
Mol. Mass.:
497.911
SMILES:
[O-][Cl](=O)(=O)=O.NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(cc2)-[n+]2ccccc2)s1
Structure:
Search PDB for entries with ligand similarity: